USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 16 MET CE :methyl 174:sc= -0.0926 (180deg=-0.155) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0215) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.578 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 27 CYS SG : rot -170:sc= -2.41! USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= -0.0609 (180deg=-1.07) USER MOD Single : A 32 ASN : amide:sc= -0.0256 K(o=-0.026,f=-0.69) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0966 K(o=-0.097,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.127 (180deg=-0.68) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.0976 (180deg=-1.27) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-2) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.42 X(o=-3.4,f=-3.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.034) USER MOD Single : A 61 LYS NZ :NH3+ 139:sc= -0.164 (180deg=-1.04) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0616 USER MOD Single : A 73 ASN : amide:sc=-0.00724 X(o=-0.0072,f=0.33) USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 3.533 -21.371 -24.512 1.00 0.00 N ATOM 198 CA VAL A 10 2.856 -20.094 -24.707 1.00 0.00 C ATOM 199 C VAL A 10 2.815 -19.290 -23.412 1.00 0.00 C ATOM 200 O VAL A 10 2.872 -19.837 -22.310 1.00 0.00 O ATOM 201 CB VAL A 10 1.418 -20.294 -25.220 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.427 -20.745 -26.672 1.00 0.00 C ATOM 203 CG2 VAL A 10 0.675 -21.293 -24.346 1.00 0.00 C ATOM 0 HA VAL A 10 3.427 -19.544 -25.455 1.00 0.00 H new ATOM 0 HB VAL A 10 0.895 -19.339 -25.165 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.402 -20.881 -27.017 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.919 -19.989 -27.285 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.967 -21.688 -26.757 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.340 -21.422 -24.723 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.194 -22.251 -24.366 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.637 -20.923 -23.322 1.00 0.00 H new ATOM 213 N PRO A 11 2.713 -17.959 -23.545 1.00 0.00 N ATOM 214 CA PRO A 11 2.661 -17.051 -22.396 1.00 0.00 C ATOM 215 C PRO A 11 1.354 -17.172 -21.620 1.00 0.00 C ATOM 216 O PRO A 11 0.392 -17.773 -22.097 1.00 0.00 O ATOM 217 CB PRO A 11 2.778 -15.664 -23.034 1.00 0.00 C ATOM 218 CG PRO A 11 2.264 -15.841 -24.421 1.00 0.00 C ATOM 219 CD PRO A 11 2.641 -17.239 -24.827 1.00 0.00 C ATOM 0 HA PRO A 11 3.444 -17.268 -21.669 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.193 -14.925 -22.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.811 -15.315 -23.036 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.184 -15.702 -24.457 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.703 -15.107 -25.097 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.898 -17.678 -25.493 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.595 -17.261 -25.354 1.00 0.00 H new ATOM 227 N ARG A 12 1.327 -16.596 -20.422 1.00 0.00 N ATOM 228 CA ARG A 12 0.137 -16.640 -19.580 1.00 0.00 C ATOM 229 C ARG A 12 -0.105 -15.291 -18.911 1.00 0.00 C ATOM 230 O ARG A 12 0.837 -14.596 -18.532 1.00 0.00 O ATOM 231 CB ARG A 12 0.279 -17.731 -18.517 1.00 0.00 C ATOM 232 CG ARG A 12 -1.048 -18.319 -18.067 1.00 0.00 C ATOM 233 CD ARG A 12 -1.608 -17.574 -16.865 1.00 0.00 C ATOM 234 NE ARG A 12 -2.480 -18.421 -16.054 1.00 0.00 N ATOM 235 CZ ARG A 12 -3.028 -18.028 -14.910 1.00 0.00 C ATOM 236 NH1 ARG A 12 -2.797 -16.808 -14.444 1.00 0.00 N ATOM 237 NH2 ARG A 12 -3.810 -18.856 -14.229 1.00 0.00 N ATOM 0 H ARG A 12 2.115 -16.094 -20.013 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.719 -16.870 -20.215 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.906 -18.531 -18.911 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.796 -17.318 -17.651 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.763 -18.277 -18.888 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.914 -19.371 -17.815 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.786 -17.207 -16.251 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.165 -16.702 -17.206 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.679 -19.365 -16.385 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.197 -16.168 -14.965 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.220 -16.509 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.990 -19.795 -14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.231 -18.553 -13.350 1.00 0.00 H new ATOM 251 N GLY A 13 -1.376 -14.926 -18.769 1.00 0.00 N ATOM 252 CA GLY A 13 -1.719 -13.661 -18.146 1.00 0.00 C ATOM 253 C GLY A 13 -2.946 -13.764 -17.262 1.00 0.00 C ATOM 254 O GLY A 13 -2.882 -13.485 -16.064 1.00 0.00 O ATOM 0 H GLY A 13 -2.174 -15.484 -19.074 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.875 -13.312 -17.551 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.894 -12.914 -18.920 1.00 0.00 H new ATOM 258 N SER A 14 -4.068 -14.165 -17.852 1.00 0.00 N ATOM 259 CA SER A 14 -5.316 -14.299 -17.112 1.00 0.00 C ATOM 260 C SER A 14 -5.773 -12.949 -16.568 1.00 0.00 C ATOM 261 O SER A 14 -6.427 -12.874 -15.527 1.00 0.00 O ATOM 262 CB SER A 14 -5.147 -15.293 -15.961 1.00 0.00 C ATOM 263 OG SER A 14 -6.375 -15.931 -15.653 1.00 0.00 O ATOM 0 H SER A 14 -4.137 -14.403 -18.841 1.00 0.00 H new ATOM 0 HA SER A 14 -6.077 -14.672 -17.797 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.402 -16.042 -16.230 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.773 -14.773 -15.079 1.00 0.00 H new ATOM 0 HG SER A 14 -6.240 -16.562 -14.916 1.00 0.00 H new ATOM 269 N HIS A 15 -5.425 -11.882 -17.282 1.00 0.00 N ATOM 270 CA HIS A 15 -5.799 -10.533 -16.873 1.00 0.00 C ATOM 271 C HIS A 15 -6.373 -9.749 -18.049 1.00 0.00 C ATOM 272 O HIS A 15 -7.571 -9.470 -18.096 1.00 0.00 O ATOM 273 CB HIS A 15 -4.589 -9.798 -16.296 1.00 0.00 C ATOM 274 CG HIS A 15 -4.245 -10.215 -14.900 1.00 0.00 C ATOM 275 ND1 HIS A 15 -5.123 -10.105 -13.843 1.00 0.00 N ATOM 276 CD2 HIS A 15 -3.109 -10.748 -14.389 1.00 0.00 C ATOM 277 CE1 HIS A 15 -4.543 -10.549 -12.742 1.00 0.00 C ATOM 278 NE2 HIS A 15 -3.320 -10.945 -13.047 1.00 0.00 N ATOM 0 H HIS A 15 -4.885 -11.926 -18.146 1.00 0.00 H new ATOM 0 HA HIS A 15 -6.566 -10.613 -16.103 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.728 -9.971 -16.941 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.786 -8.726 -16.308 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.206 -10.975 -14.936 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.992 -10.583 -11.760 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.642 -11.334 -12.391 1.00 0.00 H new ATOM 286 N MET A 16 -5.510 -9.395 -18.995 1.00 0.00 N ATOM 287 CA MET A 16 -5.932 -8.642 -20.171 1.00 0.00 C ATOM 288 C MET A 16 -5.979 -9.541 -21.403 1.00 0.00 C ATOM 289 O MET A 16 -5.604 -10.711 -21.344 1.00 0.00 O ATOM 290 CB MET A 16 -4.985 -7.467 -20.418 1.00 0.00 C ATOM 291 CG MET A 16 -4.828 -6.550 -19.216 1.00 0.00 C ATOM 292 SD MET A 16 -3.113 -6.072 -18.926 1.00 0.00 S ATOM 293 CE MET A 16 -2.609 -7.321 -17.745 1.00 0.00 C ATOM 0 H MET A 16 -4.515 -9.617 -18.971 1.00 0.00 H new ATOM 0 HA MET A 16 -6.935 -8.257 -19.985 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.006 -7.853 -20.700 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.354 -6.885 -21.263 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.430 -5.654 -19.366 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.217 -7.050 -18.329 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.541 -7.226 -17.548 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.163 -7.188 -16.816 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.816 -8.311 -18.152 1.00 0.00 H new ATOM 303 N SER A 17 -6.442 -8.984 -22.518 1.00 0.00 N ATOM 304 CA SER A 17 -6.541 -9.737 -23.763 1.00 0.00 C ATOM 305 C SER A 17 -6.130 -8.875 -24.953 1.00 0.00 C ATOM 306 O SER A 17 -6.609 -7.753 -25.117 1.00 0.00 O ATOM 307 CB SER A 17 -7.968 -10.251 -23.961 1.00 0.00 C ATOM 308 OG SER A 17 -8.356 -11.100 -22.894 1.00 0.00 O ATOM 0 H SER A 17 -6.754 -8.015 -22.585 1.00 0.00 H new ATOM 0 HA SER A 17 -5.862 -10.587 -23.700 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.656 -9.408 -24.028 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.035 -10.793 -24.904 1.00 0.00 H new ATOM 0 HG SER A 17 -9.272 -11.414 -23.043 1.00 0.00 H new ATOM 314 N VAL A 18 -5.239 -9.408 -25.782 1.00 0.00 N ATOM 315 CA VAL A 18 -4.763 -8.690 -26.958 1.00 0.00 C ATOM 316 C VAL A 18 -5.691 -8.907 -28.148 1.00 0.00 C ATOM 317 O VAL A 18 -5.778 -8.065 -29.042 1.00 0.00 O ATOM 318 CB VAL A 18 -3.338 -9.129 -27.346 1.00 0.00 C ATOM 319 CG1 VAL A 18 -2.684 -8.089 -28.244 1.00 0.00 C ATOM 320 CG2 VAL A 18 -2.499 -9.373 -26.101 1.00 0.00 C ATOM 0 H VAL A 18 -4.832 -10.335 -25.661 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.751 -7.631 -26.698 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.403 -10.064 -27.902 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.678 -8.417 -28.508 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.276 -7.968 -29.151 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.629 -7.136 -27.717 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.496 -9.682 -26.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.440 -8.455 -25.516 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.960 -10.157 -25.500 1.00 0.00 H new ATOM 330 N ASP A 19 -6.383 -10.040 -28.152 1.00 0.00 N ATOM 331 CA ASP A 19 -7.307 -10.368 -29.232 1.00 0.00 C ATOM 332 C ASP A 19 -8.511 -9.432 -29.220 1.00 0.00 C ATOM 333 O ASP A 19 -9.299 -9.405 -30.165 1.00 0.00 O ATOM 334 CB ASP A 19 -7.773 -11.820 -29.109 1.00 0.00 C ATOM 335 CG ASP A 19 -8.279 -12.378 -30.425 1.00 0.00 C ATOM 336 OD1 ASP A 19 -7.574 -12.225 -31.444 1.00 0.00 O ATOM 337 OD2 ASP A 19 -9.380 -12.967 -30.436 1.00 0.00 O ATOM 0 H ASP A 19 -6.322 -10.747 -27.420 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.781 -10.242 -30.178 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.947 -12.435 -28.750 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.565 -11.883 -28.362 1.00 0.00 H new ATOM 342 N ASP A 20 -8.648 -8.666 -28.143 1.00 0.00 N ATOM 343 CA ASP A 20 -9.756 -7.727 -28.007 1.00 0.00 C ATOM 344 C ASP A 20 -9.317 -6.312 -28.370 1.00 0.00 C ATOM 345 O ASP A 20 -9.911 -5.333 -27.919 1.00 0.00 O ATOM 346 CB ASP A 20 -10.303 -7.754 -26.579 1.00 0.00 C ATOM 347 CG ASP A 20 -11.747 -7.299 -26.504 1.00 0.00 C ATOM 348 OD1 ASP A 20 -12.595 -7.895 -27.201 1.00 0.00 O ATOM 349 OD2 ASP A 20 -12.030 -6.346 -25.748 1.00 0.00 O ATOM 0 H ASP A 20 -8.005 -8.677 -27.351 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.544 -8.031 -28.696 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.223 -8.766 -26.181 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.690 -7.113 -25.946 1.00 0.00 H new ATOM 354 N ILE A 21 -8.273 -6.213 -29.187 1.00 0.00 N ATOM 355 CA ILE A 21 -7.755 -4.918 -29.610 1.00 0.00 C ATOM 356 C ILE A 21 -8.224 -4.572 -31.019 1.00 0.00 C ATOM 357 O ILE A 21 -8.324 -5.445 -31.883 1.00 0.00 O ATOM 358 CB ILE A 21 -6.216 -4.887 -29.571 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.715 -5.128 -28.146 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.699 -3.559 -30.103 1.00 0.00 C ATOM 361 CD1 ILE A 21 -4.214 -5.293 -28.052 1.00 0.00 C ATOM 0 H ILE A 21 -7.770 -7.014 -29.569 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.143 -4.179 -28.909 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.835 -5.684 -30.209 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.021 -4.293 -27.516 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.196 -6.021 -27.747 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.610 -3.553 -30.069 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.031 -3.426 -31.133 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.086 -2.746 -29.489 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.931 -5.460 -27.013 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.903 -6.146 -28.655 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.725 -4.391 -28.421 1.00 0.00 H new ATOM 373 N ILE A 22 -8.508 -3.294 -31.246 1.00 0.00 N ATOM 374 CA ILE A 22 -8.964 -2.833 -32.551 1.00 0.00 C ATOM 375 C ILE A 22 -7.797 -2.701 -33.525 1.00 0.00 C ATOM 376 O ILE A 22 -6.666 -3.067 -33.207 1.00 0.00 O ATOM 377 CB ILE A 22 -9.688 -1.478 -32.448 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.702 -0.377 -32.051 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.829 -1.562 -31.445 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.339 0.990 -31.930 1.00 0.00 C ATOM 0 H ILE A 22 -8.430 -2.559 -30.543 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.663 -3.581 -32.924 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.106 -1.231 -33.424 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.241 -0.640 -31.099 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.903 -0.332 -32.791 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.331 -0.596 -31.383 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.541 -2.322 -31.767 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.433 -1.828 -30.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.582 1.721 -31.646 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.776 1.274 -32.887 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.119 0.962 -31.169 1.00 0.00 H new ATOM 392 N ILE A 23 -8.081 -2.173 -34.711 1.00 0.00 N ATOM 393 CA ILE A 23 -7.055 -1.989 -35.730 1.00 0.00 C ATOM 394 C ILE A 23 -6.599 -0.536 -35.795 1.00 0.00 C ATOM 395 O ILE A 23 -7.360 0.380 -35.483 1.00 0.00 O ATOM 396 CB ILE A 23 -7.559 -2.420 -37.120 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.228 -3.794 -37.041 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.409 -2.442 -38.116 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.303 -4.890 -36.561 1.00 0.00 C ATOM 0 H ILE A 23 -9.013 -1.865 -34.990 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.212 -2.619 -35.447 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.298 -1.696 -37.463 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.085 -3.734 -36.370 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.612 -4.059 -38.026 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.780 -2.748 -39.094 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.972 -1.446 -38.190 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.649 -3.147 -37.779 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.845 -5.835 -36.530 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.458 -4.978 -37.244 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.939 -4.647 -35.563 1.00 0.00 H new ATOM 411 N LYS A 24 -5.351 -0.331 -36.203 1.00 0.00 N ATOM 412 CA LYS A 24 -4.792 1.011 -36.313 1.00 0.00 C ATOM 413 C LYS A 24 -4.730 1.688 -34.947 1.00 0.00 C ATOM 414 O LYS A 24 -4.669 2.915 -34.854 1.00 0.00 O ATOM 415 CB LYS A 24 -5.628 1.857 -37.276 1.00 0.00 C ATOM 416 CG LYS A 24 -5.958 1.149 -38.578 1.00 0.00 C ATOM 417 CD LYS A 24 -6.183 2.138 -39.710 1.00 0.00 C ATOM 418 CE LYS A 24 -7.641 2.559 -39.801 1.00 0.00 C ATOM 419 NZ LYS A 24 -7.938 3.725 -38.923 1.00 0.00 N ATOM 0 H LYS A 24 -4.707 -1.078 -36.463 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.778 0.924 -36.703 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.557 2.143 -36.782 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.089 2.778 -37.499 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.145 0.472 -38.841 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.851 0.538 -38.445 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.558 3.018 -39.555 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.873 1.689 -40.654 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.882 2.811 -40.834 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.279 1.721 -39.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.834 3.562 -38.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.170 3.844 -38.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.018 4.585 -39.503 1.00 0.00 H new ATOM 433 N CYS A 25 -4.745 0.882 -33.892 1.00 0.00 N ATOM 434 CA CYS A 25 -4.690 1.404 -32.530 1.00 0.00 C ATOM 435 C CYS A 25 -3.249 1.661 -32.105 1.00 0.00 C ATOM 436 O CYS A 25 -2.315 1.092 -32.669 1.00 0.00 O ATOM 437 CB CYS A 25 -5.355 0.426 -31.560 1.00 0.00 C ATOM 438 SG CYS A 25 -6.264 1.223 -30.216 1.00 0.00 S ATOM 0 H CYS A 25 -4.795 -0.135 -33.952 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.230 2.350 -32.507 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.039 -0.214 -32.118 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.590 -0.222 -31.133 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.792 0.314 -29.451 1.00 0.00 H new ATOM 444 N GLN A 26 -3.076 2.523 -31.108 1.00 0.00 N ATOM 445 CA GLN A 26 -1.748 2.857 -30.609 1.00 0.00 C ATOM 446 C GLN A 26 -1.347 1.932 -29.464 1.00 0.00 C ATOM 447 O GLN A 26 -1.974 1.934 -28.404 1.00 0.00 O ATOM 448 CB GLN A 26 -1.707 4.313 -30.142 1.00 0.00 C ATOM 449 CG GLN A 26 -2.756 4.646 -29.094 1.00 0.00 C ATOM 450 CD GLN A 26 -3.556 5.886 -29.441 1.00 0.00 C ATOM 451 OE1 GLN A 26 -2.993 6.931 -29.767 1.00 0.00 O ATOM 452 NE2 GLN A 26 -4.878 5.775 -29.375 1.00 0.00 N ATOM 0 H GLN A 26 -3.839 3.002 -30.630 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.037 2.724 -31.425 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.719 4.528 -29.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.846 4.966 -31.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.434 3.800 -28.983 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.268 4.791 -28.130 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.302 4.889 -29.100 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.469 6.576 -29.599 1.00 0.00 H new ATOM 461 N CYS A 27 -0.302 1.144 -29.686 1.00 0.00 N ATOM 462 CA CYS A 27 0.181 0.212 -28.673 1.00 0.00 C ATOM 463 C CYS A 27 1.613 0.545 -28.267 1.00 0.00 C ATOM 464 O CYS A 27 2.495 0.676 -29.116 1.00 0.00 O ATOM 465 CB CYS A 27 0.107 -1.224 -29.194 1.00 0.00 C ATOM 466 SG CYS A 27 -1.463 -2.053 -28.850 1.00 0.00 S ATOM 0 H CYS A 27 0.227 1.131 -30.558 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.458 0.305 -27.795 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.274 -1.218 -30.271 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.917 -1.803 -28.749 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.359 -3.317 -29.138 1.00 0.00 H new ATOM 472 N TRP A 28 1.836 0.682 -26.965 1.00 0.00 N ATOM 473 CA TRP A 28 3.162 1.002 -26.446 1.00 0.00 C ATOM 474 C TRP A 28 4.083 -0.211 -26.521 1.00 0.00 C ATOM 475 O TRP A 28 3.751 -1.287 -26.023 1.00 0.00 O ATOM 476 CB TRP A 28 3.061 1.493 -25.001 1.00 0.00 C ATOM 477 CG TRP A 28 2.837 2.971 -24.891 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.638 3.609 -24.750 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.838 3.994 -24.913 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.834 4.968 -24.684 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.175 5.229 -24.781 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.231 3.986 -25.030 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.858 6.442 -24.764 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.907 5.191 -25.013 1.00 0.00 C ATOM 485 CH2 TRP A 28 5.221 6.406 -24.880 1.00 0.00 C ATOM 0 H TRP A 28 1.117 0.577 -26.249 1.00 0.00 H new ATOM 0 HA TRP A 28 3.585 1.795 -27.063 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.244 0.971 -24.503 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.977 1.231 -24.471 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.677 3.118 -24.698 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.100 5.668 -24.580 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.769 3.055 -25.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.330 7.379 -24.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.983 5.197 -25.104 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.778 7.331 -24.869 1.00 0.00 H new ATOM 496 N VAL A 29 5.242 -0.031 -27.147 1.00 0.00 N ATOM 497 CA VAL A 29 6.212 -1.111 -27.285 1.00 0.00 C ATOM 498 C VAL A 29 7.321 -0.989 -26.247 1.00 0.00 C ATOM 499 O VAL A 29 8.116 -0.050 -26.281 1.00 0.00 O ATOM 500 CB VAL A 29 6.839 -1.125 -28.692 1.00 0.00 C ATOM 501 CG1 VAL A 29 7.765 -2.320 -28.851 1.00 0.00 C ATOM 502 CG2 VAL A 29 5.754 -1.134 -29.758 1.00 0.00 C ATOM 0 H VAL A 29 5.532 0.852 -27.566 1.00 0.00 H new ATOM 0 HA VAL A 29 5.672 -2.044 -27.127 1.00 0.00 H new ATOM 0 HB VAL A 29 7.431 -0.218 -28.817 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.199 -2.314 -29.851 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.562 -2.264 -28.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.199 -3.240 -28.707 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.215 -1.144 -30.746 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.133 -2.022 -29.638 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.135 -0.243 -29.655 1.00 0.00 H new ATOM 512 N GLN A 30 7.369 -1.946 -25.325 1.00 0.00 N ATOM 513 CA GLN A 30 8.382 -1.946 -24.277 1.00 0.00 C ATOM 514 C GLN A 30 9.621 -2.721 -24.715 1.00 0.00 C ATOM 515 O GLN A 30 9.618 -3.951 -24.744 1.00 0.00 O ATOM 516 CB GLN A 30 7.816 -2.551 -22.991 1.00 0.00 C ATOM 517 CG GLN A 30 7.084 -1.547 -22.116 1.00 0.00 C ATOM 518 CD GLN A 30 7.096 -1.932 -20.650 1.00 0.00 C ATOM 519 OE1 GLN A 30 8.131 -1.866 -19.988 1.00 0.00 O ATOM 520 NE2 GLN A 30 5.941 -2.336 -20.135 1.00 0.00 N ATOM 0 H GLN A 30 6.718 -2.730 -25.283 1.00 0.00 H new ATOM 0 HA GLN A 30 8.671 -0.912 -24.088 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.133 -3.360 -23.250 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.631 -2.993 -22.418 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.543 -0.566 -22.234 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.052 -1.459 -22.456 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.107 -2.375 -20.721 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.887 -2.607 -19.153 1.00 0.00 H new ATOM 529 N LYS A 31 10.678 -1.992 -25.058 1.00 0.00 N ATOM 530 CA LYS A 31 11.924 -2.610 -25.495 1.00 0.00 C ATOM 531 C LYS A 31 12.715 -3.141 -24.304 1.00 0.00 C ATOM 532 O LYS A 31 12.432 -2.798 -23.157 1.00 0.00 O ATOM 533 CB LYS A 31 12.771 -1.602 -26.275 1.00 0.00 C ATOM 534 CG LYS A 31 12.003 -0.879 -27.368 1.00 0.00 C ATOM 535 CD LYS A 31 11.649 -1.814 -28.512 1.00 0.00 C ATOM 536 CE LYS A 31 12.775 -1.898 -29.532 1.00 0.00 C ATOM 537 NZ LYS A 31 13.728 -2.997 -29.215 1.00 0.00 N ATOM 0 H LYS A 31 10.696 -0.972 -25.042 1.00 0.00 H new ATOM 0 HA LYS A 31 11.676 -3.448 -26.146 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.177 -0.867 -25.580 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.619 -2.121 -26.721 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.091 -0.451 -26.951 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.601 -0.050 -27.746 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.438 -2.808 -28.119 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.739 -1.465 -29.001 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.355 -2.057 -30.525 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.311 -0.949 -29.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.104 -3.397 -30.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.512 -2.622 -28.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.235 -3.741 -28.681 1.00 0.00 H new ATOM 551 N ASN A 32 13.708 -3.978 -24.585 1.00 0.00 N ATOM 552 CA ASN A 32 14.541 -4.555 -23.536 1.00 0.00 C ATOM 553 C ASN A 32 15.068 -3.471 -22.601 1.00 0.00 C ATOM 554 O ASN A 32 14.995 -3.600 -21.379 1.00 0.00 O ATOM 555 CB ASN A 32 15.710 -5.327 -24.150 1.00 0.00 C ATOM 556 CG ASN A 32 16.350 -6.288 -23.167 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.660 -6.948 -22.389 1.00 0.00 O ATOM 558 ND2 ASN A 32 17.675 -6.372 -23.198 1.00 0.00 N ATOM 0 H ASN A 32 13.956 -4.272 -25.530 1.00 0.00 H new ATOM 0 HA ASN A 32 13.925 -5.242 -22.956 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.358 -5.882 -25.019 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.461 -4.621 -24.505 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.161 -7.002 -22.560 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.207 -5.806 -23.860 1.00 0.00 H new ATOM 565 N ASP A 33 15.599 -2.402 -23.184 1.00 0.00 N ATOM 566 CA ASP A 33 16.138 -1.293 -22.405 1.00 0.00 C ATOM 567 C ASP A 33 15.691 0.046 -22.983 1.00 0.00 C ATOM 568 O ASP A 33 16.313 1.078 -22.736 1.00 0.00 O ATOM 569 CB ASP A 33 17.665 -1.362 -22.367 1.00 0.00 C ATOM 570 CG ASP A 33 18.176 -2.318 -21.307 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.409 -2.634 -20.373 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.342 -2.752 -21.412 1.00 0.00 O ATOM 0 H ASP A 33 15.668 -2.280 -24.194 1.00 0.00 H new ATOM 0 HA ASP A 33 15.753 -1.376 -21.388 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.036 -1.675 -23.343 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.066 -0.366 -22.178 1.00 0.00 H new ATOM 577 N GLU A 34 14.609 0.019 -23.755 1.00 0.00 N ATOM 578 CA GLU A 34 14.081 1.231 -24.370 1.00 0.00 C ATOM 579 C GLU A 34 12.555 1.240 -24.332 1.00 0.00 C ATOM 580 O GLU A 34 11.927 0.241 -23.983 1.00 0.00 O ATOM 581 CB GLU A 34 14.567 1.350 -25.816 1.00 0.00 C ATOM 582 CG GLU A 34 15.951 1.964 -25.945 1.00 0.00 C ATOM 583 CD GLU A 34 16.605 1.654 -27.277 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.318 2.369 -28.259 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.404 0.696 -27.337 1.00 0.00 O ATOM 0 H GLU A 34 14.082 -0.828 -23.969 1.00 0.00 H new ATOM 0 HA GLU A 34 14.447 2.085 -23.800 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.575 0.359 -26.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.857 1.954 -26.380 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.878 3.045 -25.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.585 1.595 -25.139 1.00 0.00 H new ATOM 592 N GLU A 35 11.966 2.376 -24.695 1.00 0.00 N ATOM 593 CA GLU A 35 10.515 2.515 -24.701 1.00 0.00 C ATOM 594 C GLU A 35 10.050 3.310 -25.918 1.00 0.00 C ATOM 595 O GLU A 35 10.451 4.457 -26.113 1.00 0.00 O ATOM 596 CB GLU A 35 10.040 3.200 -23.418 1.00 0.00 C ATOM 597 CG GLU A 35 10.063 2.293 -22.199 1.00 0.00 C ATOM 598 CD GLU A 35 9.014 2.671 -21.171 1.00 0.00 C ATOM 599 OE1 GLU A 35 7.820 2.725 -21.533 1.00 0.00 O ATOM 600 OE2 GLU A 35 9.388 2.913 -20.004 1.00 0.00 O ATOM 0 H GLU A 35 12.471 3.212 -24.988 1.00 0.00 H new ATOM 0 HA GLU A 35 10.080 1.517 -24.753 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.669 4.069 -23.226 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.025 3.568 -23.567 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.902 1.262 -22.515 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.050 2.335 -21.738 1.00 0.00 H new ATOM 607 N ARG A 36 9.201 2.691 -26.732 1.00 0.00 N ATOM 608 CA ARG A 36 8.682 3.340 -27.931 1.00 0.00 C ATOM 609 C ARG A 36 7.193 3.056 -28.101 1.00 0.00 C ATOM 610 O ARG A 36 6.587 2.355 -27.289 1.00 0.00 O ATOM 611 CB ARG A 36 9.448 2.863 -29.166 1.00 0.00 C ATOM 612 CG ARG A 36 10.815 3.509 -29.322 1.00 0.00 C ATOM 613 CD ARG A 36 11.440 3.171 -30.667 1.00 0.00 C ATOM 614 NE ARG A 36 12.419 4.172 -31.082 1.00 0.00 N ATOM 615 CZ ARG A 36 13.631 4.281 -30.548 1.00 0.00 C ATOM 616 NH1 ARG A 36 14.010 3.454 -29.584 1.00 0.00 N ATOM 617 NH2 ARG A 36 14.465 5.217 -30.980 1.00 0.00 N ATOM 0 H ARG A 36 8.858 1.742 -26.584 1.00 0.00 H new ATOM 0 HA ARG A 36 8.818 4.416 -27.820 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.571 1.781 -29.112 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.853 3.072 -30.055 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.721 4.591 -29.225 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.471 3.173 -28.520 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.922 2.195 -30.608 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.657 3.095 -31.422 1.00 0.00 H new ATOM 0 HE ARG A 36 12.158 4.823 -31.822 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.371 2.732 -29.251 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.941 3.539 -29.175 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.176 5.854 -31.723 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.395 5.300 -30.570 1.00 0.00 H new ATOM 631 N LEU A 37 6.609 3.604 -29.160 1.00 0.00 N ATOM 632 CA LEU A 37 5.189 3.411 -29.437 1.00 0.00 C ATOM 633 C LEU A 37 4.961 3.088 -30.910 1.00 0.00 C ATOM 634 O LEU A 37 5.598 3.668 -31.789 1.00 0.00 O ATOM 635 CB LEU A 37 4.399 4.662 -29.049 1.00 0.00 C ATOM 636 CG LEU A 37 2.988 4.770 -29.629 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.148 3.571 -29.218 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.326 6.066 -29.182 1.00 0.00 C ATOM 0 H LEU A 37 7.096 4.186 -29.842 1.00 0.00 H new ATOM 0 HA LEU A 37 4.839 2.568 -28.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.328 4.700 -27.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.967 5.538 -29.362 1.00 0.00 H new ATOM 0 HG LEU A 37 3.063 4.779 -30.716 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.148 3.666 -29.640 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.613 2.657 -29.588 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.081 3.529 -28.131 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.323 6.126 -29.604 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.264 6.086 -28.094 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.917 6.914 -29.528 1.00 0.00 H new ATOM 650 N ALA A 38 4.048 2.159 -31.173 1.00 0.00 N ATOM 651 CA ALA A 38 3.733 1.761 -32.539 1.00 0.00 C ATOM 652 C ALA A 38 2.234 1.546 -32.716 1.00 0.00 C ATOM 653 O ALA A 38 1.493 1.439 -31.739 1.00 0.00 O ATOM 654 CB ALA A 38 4.497 0.499 -32.911 1.00 0.00 C ATOM 0 H ALA A 38 3.513 1.668 -30.457 1.00 0.00 H new ATOM 0 HA ALA A 38 4.039 2.567 -33.206 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.252 0.213 -33.934 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.568 0.686 -32.833 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.219 -0.308 -32.233 1.00 0.00 H new ATOM 660 N GLU A 39 1.793 1.485 -33.969 1.00 0.00 N ATOM 661 CA GLU A 39 0.381 1.284 -34.273 1.00 0.00 C ATOM 662 C GLU A 39 0.103 -0.173 -34.630 1.00 0.00 C ATOM 663 O GLU A 39 1.023 -0.939 -34.919 1.00 0.00 O ATOM 664 CB GLU A 39 -0.050 2.194 -35.425 1.00 0.00 C ATOM 665 CG GLU A 39 -1.515 2.594 -35.369 1.00 0.00 C ATOM 666 CD GLU A 39 -1.837 3.756 -36.289 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.221 3.844 -37.371 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.706 4.577 -35.926 1.00 0.00 O ATOM 0 H GLU A 39 2.393 1.572 -34.789 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.195 1.538 -33.383 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.564 3.094 -35.415 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.144 1.686 -36.370 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.132 1.738 -35.641 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.776 2.863 -34.345 1.00 0.00 H new ATOM 675 N ILE A 40 -1.171 -0.549 -34.606 1.00 0.00 N ATOM 676 CA ILE A 40 -1.570 -1.914 -34.928 1.00 0.00 C ATOM 677 C ILE A 40 -2.069 -2.016 -36.365 1.00 0.00 C ATOM 678 O ILE A 40 -2.811 -1.155 -36.840 1.00 0.00 O ATOM 679 CB ILE A 40 -2.672 -2.416 -33.977 1.00 0.00 C ATOM 680 CG1 ILE A 40 -2.254 -2.207 -32.520 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.972 -3.884 -34.242 1.00 0.00 C ATOM 682 CD1 ILE A 40 -1.042 -3.018 -32.117 1.00 0.00 C ATOM 0 H ILE A 40 -1.944 0.072 -34.367 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.685 -2.539 -34.808 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.579 -1.841 -34.161 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.044 -1.150 -32.359 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.089 -2.469 -31.870 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.753 -4.224 -33.562 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.309 -4.007 -35.271 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.070 -4.474 -34.083 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.803 -2.820 -31.072 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.255 -4.079 -32.246 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.194 -2.740 -32.742 1.00 0.00 H new ATOM 694 N LEU A 41 -1.658 -3.076 -37.053 1.00 0.00 N ATOM 695 CA LEU A 41 -2.065 -3.293 -38.438 1.00 0.00 C ATOM 696 C LEU A 41 -3.060 -4.445 -38.538 1.00 0.00 C ATOM 697 O LEU A 41 -4.247 -4.234 -38.785 1.00 0.00 O ATOM 698 CB LEU A 41 -0.842 -3.583 -39.309 1.00 0.00 C ATOM 699 CG LEU A 41 0.040 -2.381 -39.650 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.927 -2.019 -38.469 1.00 0.00 C ATOM 701 CD2 LEU A 41 0.882 -2.669 -40.884 1.00 0.00 C ATOM 0 H LEU A 41 -1.044 -3.798 -36.675 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.551 -2.385 -38.796 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.228 -4.327 -38.801 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.183 -4.034 -40.241 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.606 -1.530 -39.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.548 -1.162 -38.729 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.305 -1.769 -37.610 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.565 -2.867 -38.220 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.503 -1.802 -41.111 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.520 -3.533 -40.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.228 -2.878 -41.730 1.00 0.00 H new ATOM 713 N SER A 42 -2.567 -5.665 -38.343 1.00 0.00 N ATOM 714 CA SER A 42 -3.412 -6.851 -38.414 1.00 0.00 C ATOM 715 C SER A 42 -3.025 -7.859 -37.336 1.00 0.00 C ATOM 716 O SER A 42 -2.018 -7.690 -36.647 1.00 0.00 O ATOM 717 CB SER A 42 -3.304 -7.498 -39.796 1.00 0.00 C ATOM 718 OG SER A 42 -4.537 -8.080 -40.184 1.00 0.00 O ATOM 0 H SER A 42 -1.587 -5.857 -38.135 1.00 0.00 H new ATOM 0 HA SER A 42 -4.444 -6.543 -38.245 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.005 -6.749 -40.529 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.526 -8.261 -39.784 1.00 0.00 H new ATOM 0 HG SER A 42 -4.443 -8.485 -41.071 1.00 0.00 H new ATOM 724 N ILE A 43 -3.831 -8.905 -37.197 1.00 0.00 N ATOM 725 CA ILE A 43 -3.573 -9.941 -36.204 1.00 0.00 C ATOM 726 C ILE A 43 -3.626 -11.330 -36.832 1.00 0.00 C ATOM 727 O ILE A 43 -4.411 -11.579 -37.746 1.00 0.00 O ATOM 728 CB ILE A 43 -4.585 -9.875 -35.045 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.669 -8.450 -34.493 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.196 -10.852 -33.946 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.626 -8.308 -33.331 1.00 0.00 C ATOM 0 H ILE A 43 -4.668 -9.058 -37.759 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.572 -9.760 -35.812 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.568 -10.157 -35.424 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.676 -8.133 -34.176 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.979 -7.777 -35.293 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.921 -10.794 -33.134 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.182 -11.865 -34.348 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.206 -10.598 -33.567 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.635 -7.272 -32.991 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.629 -8.594 -33.648 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.306 -8.955 -32.515 1.00 0.00 H new ATOM 743 N ASN A 44 -2.787 -12.231 -36.333 1.00 0.00 N ATOM 744 CA ASN A 44 -2.739 -13.596 -36.844 1.00 0.00 C ATOM 745 C ASN A 44 -3.356 -14.572 -35.847 1.00 0.00 C ATOM 746 O ASN A 44 -3.340 -14.336 -34.638 1.00 0.00 O ATOM 747 CB ASN A 44 -1.294 -14.001 -37.144 1.00 0.00 C ATOM 748 CG ASN A 44 -1.126 -14.546 -38.549 1.00 0.00 C ATOM 749 OD1 ASN A 44 -2.026 -15.189 -39.089 1.00 0.00 O ATOM 750 ND2 ASN A 44 0.032 -14.293 -39.147 1.00 0.00 N ATOM 0 H ASN A 44 -2.131 -12.041 -35.575 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.318 -13.632 -37.767 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.643 -13.137 -37.012 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.974 -14.754 -36.424 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.204 -14.636 -40.092 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.750 -13.756 -38.661 1.00 0.00 H new ATOM 757 N THR A 45 -3.898 -15.672 -36.361 1.00 0.00 N ATOM 758 CA THR A 45 -4.521 -16.684 -35.517 1.00 0.00 C ATOM 759 C THR A 45 -4.156 -18.089 -35.983 1.00 0.00 C ATOM 760 O THR A 45 -4.929 -19.031 -35.810 1.00 0.00 O ATOM 761 CB THR A 45 -6.054 -16.541 -35.507 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.550 -16.478 -36.849 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.476 -15.293 -34.746 1.00 0.00 C ATOM 0 H THR A 45 -3.918 -15.885 -37.358 1.00 0.00 H new ATOM 0 HA THR A 45 -4.143 -16.529 -34.507 1.00 0.00 H new ATOM 0 HB THR A 45 -6.474 -17.413 -35.006 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.526 -16.389 -36.833 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.563 -15.213 -34.752 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.123 -15.358 -33.717 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.045 -14.413 -35.223 1.00 0.00 H new ATOM 771 N ARG A 46 -2.973 -18.223 -36.574 1.00 0.00 N ATOM 772 CA ARG A 46 -2.506 -19.514 -37.065 1.00 0.00 C ATOM 773 C ARG A 46 -2.014 -20.387 -35.915 1.00 0.00 C ATOM 774 O ARG A 46 -2.419 -21.542 -35.781 1.00 0.00 O ATOM 775 CB ARG A 46 -1.385 -19.319 -38.088 1.00 0.00 C ATOM 776 CG ARG A 46 -0.958 -20.605 -38.776 1.00 0.00 C ATOM 777 CD ARG A 46 0.327 -20.414 -39.566 1.00 0.00 C ATOM 778 NE ARG A 46 0.752 -21.646 -40.225 1.00 0.00 N ATOM 779 CZ ARG A 46 1.395 -22.629 -39.603 1.00 0.00 C ATOM 780 NH1 ARG A 46 1.684 -22.524 -38.313 1.00 0.00 N ATOM 781 NH2 ARG A 46 1.749 -23.719 -40.271 1.00 0.00 N ATOM 0 H ARG A 46 -2.321 -17.453 -36.724 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.345 -20.017 -37.547 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.714 -18.605 -38.843 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.521 -18.880 -37.589 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.815 -21.388 -38.031 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.751 -20.942 -39.444 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.180 -19.635 -40.314 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.116 -20.070 -38.897 1.00 0.00 H new ATOM 0 HE ARG A 46 0.544 -21.758 -41.217 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.413 -21.688 -37.796 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.177 -23.280 -37.838 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.528 -23.803 -41.263 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.242 -24.473 -39.793 1.00 0.00 H new ATOM 795 N LYS A 47 -1.138 -19.828 -35.087 1.00 0.00 N ATOM 796 CA LYS A 47 -0.591 -20.555 -33.947 1.00 0.00 C ATOM 797 C LYS A 47 -0.535 -19.664 -32.710 1.00 0.00 C ATOM 798 O LYS A 47 -0.517 -18.438 -32.817 1.00 0.00 O ATOM 799 CB LYS A 47 0.809 -21.078 -34.275 1.00 0.00 C ATOM 800 CG LYS A 47 0.808 -22.274 -35.211 1.00 0.00 C ATOM 801 CD LYS A 47 0.582 -23.573 -34.456 1.00 0.00 C ATOM 802 CE LYS A 47 1.807 -23.967 -33.646 1.00 0.00 C ATOM 803 NZ LYS A 47 3.016 -24.113 -34.503 1.00 0.00 N ATOM 0 H LYS A 47 -0.791 -18.874 -35.184 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.248 -21.399 -33.736 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.391 -20.275 -34.726 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.311 -21.353 -33.348 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.028 -22.148 -35.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.758 -22.322 -35.743 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.275 -23.465 -33.792 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.340 -24.368 -35.162 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.994 -23.214 -32.880 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.613 -24.907 -33.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.724 -24.692 -34.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.754 -24.575 -35.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.415 -23.174 -34.703 1.00 0.00 H new ATOM 817 N ALA A 48 -0.507 -20.289 -31.538 1.00 0.00 N ATOM 818 CA ALA A 48 -0.450 -19.553 -30.281 1.00 0.00 C ATOM 819 C ALA A 48 0.973 -19.514 -29.732 1.00 0.00 C ATOM 820 O ALA A 48 1.745 -20.462 -29.874 1.00 0.00 O ATOM 821 CB ALA A 48 -1.394 -20.174 -29.262 1.00 0.00 C ATOM 0 H ALA A 48 -0.523 -21.303 -31.433 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.766 -18.528 -30.474 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.341 -19.614 -28.328 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.414 -20.144 -29.645 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.104 -21.209 -29.081 1.00 0.00 H new ATOM 827 N PRO A 49 1.329 -18.391 -29.090 1.00 0.00 N ATOM 828 CA PRO A 49 0.419 -17.256 -28.916 1.00 0.00 C ATOM 829 C PRO A 49 0.137 -16.532 -30.228 1.00 0.00 C ATOM 830 O PRO A 49 0.804 -16.749 -31.240 1.00 0.00 O ATOM 831 CB PRO A 49 1.176 -16.339 -27.952 1.00 0.00 C ATOM 832 CG PRO A 49 2.613 -16.677 -28.157 1.00 0.00 C ATOM 833 CD PRO A 49 2.649 -18.144 -28.486 1.00 0.00 C ATOM 0 HA PRO A 49 -0.558 -17.570 -28.549 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.981 -15.289 -28.170 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.872 -16.512 -26.920 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.042 -16.085 -28.965 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.196 -16.463 -27.261 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.458 -18.381 -29.177 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.803 -18.752 -27.595 1.00 0.00 H new ATOM 841 N PRO A 50 -0.875 -15.652 -30.214 1.00 0.00 N ATOM 842 CA PRO A 50 -1.268 -14.879 -31.396 1.00 0.00 C ATOM 843 C PRO A 50 -0.230 -13.827 -31.771 1.00 0.00 C ATOM 844 O PRO A 50 0.463 -13.287 -30.909 1.00 0.00 O ATOM 845 CB PRO A 50 -2.575 -14.209 -30.963 1.00 0.00 C ATOM 846 CG PRO A 50 -2.486 -14.129 -29.478 1.00 0.00 C ATOM 847 CD PRO A 50 -1.714 -15.345 -29.044 1.00 0.00 C ATOM 0 HA PRO A 50 -1.368 -15.508 -32.280 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.678 -13.219 -31.407 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.441 -14.791 -31.277 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.982 -13.214 -29.166 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.478 -14.115 -29.028 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.111 -15.143 -28.159 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.377 -16.174 -28.796 1.00 0.00 H new ATOM 855 N LYS A 51 -0.127 -13.540 -33.065 1.00 0.00 N ATOM 856 CA LYS A 51 0.826 -12.551 -33.556 1.00 0.00 C ATOM 857 C LYS A 51 0.130 -11.228 -33.858 1.00 0.00 C ATOM 858 O LYS A 51 -1.075 -11.192 -34.107 1.00 0.00 O ATOM 859 CB LYS A 51 1.528 -13.070 -34.813 1.00 0.00 C ATOM 860 CG LYS A 51 2.028 -14.498 -34.685 1.00 0.00 C ATOM 861 CD LYS A 51 3.121 -14.615 -33.636 1.00 0.00 C ATOM 862 CE LYS A 51 3.516 -16.065 -33.402 1.00 0.00 C ATOM 863 NZ LYS A 51 4.876 -16.180 -32.806 1.00 0.00 N ATOM 0 H LYS A 51 -0.692 -13.978 -33.792 1.00 0.00 H new ATOM 0 HA LYS A 51 1.569 -12.380 -32.777 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.839 -13.010 -35.655 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.371 -12.418 -35.044 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.198 -15.153 -34.421 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.409 -14.839 -35.648 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.994 -14.046 -33.954 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.777 -14.175 -32.700 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.789 -16.537 -32.742 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.487 -16.607 -34.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.268 -17.121 -33.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.496 -15.450 -33.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.816 -16.050 -31.776 1.00 0.00 H new ATOM 877 N PHE A 52 0.897 -10.143 -33.837 1.00 0.00 N ATOM 878 CA PHE A 52 0.354 -8.817 -34.110 1.00 0.00 C ATOM 879 C PHE A 52 1.358 -7.966 -34.880 1.00 0.00 C ATOM 880 O PHE A 52 2.513 -7.829 -34.475 1.00 0.00 O ATOM 881 CB PHE A 52 -0.026 -8.120 -32.802 1.00 0.00 C ATOM 882 CG PHE A 52 -0.739 -9.016 -31.830 1.00 0.00 C ATOM 883 CD1 PHE A 52 -0.024 -9.824 -30.960 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.123 -9.049 -31.784 1.00 0.00 C ATOM 885 CE1 PHE A 52 -0.678 -10.650 -30.065 1.00 0.00 C ATOM 886 CE2 PHE A 52 -2.782 -9.872 -30.891 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.059 -10.673 -30.030 1.00 0.00 C ATOM 0 H PHE A 52 1.896 -10.156 -33.634 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.539 -8.936 -34.723 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.877 -7.732 -32.331 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.661 -7.263 -33.027 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.056 -9.808 -30.982 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.694 -8.424 -32.454 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.110 -11.277 -29.394 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.862 -9.889 -30.867 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.572 -11.316 -29.330 1.00 0.00 H new ATOM 897 N TYR A 53 0.910 -7.397 -35.994 1.00 0.00 N ATOM 898 CA TYR A 53 1.770 -6.561 -36.824 1.00 0.00 C ATOM 899 C TYR A 53 1.795 -5.125 -36.309 1.00 0.00 C ATOM 900 O TYR A 53 0.760 -4.464 -36.228 1.00 0.00 O ATOM 901 CB TYR A 53 1.291 -6.585 -38.276 1.00 0.00 C ATOM 902 CG TYR A 53 2.161 -7.423 -39.187 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.273 -6.875 -39.814 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.870 -8.761 -39.420 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.070 -7.636 -40.648 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.662 -9.530 -40.250 1.00 0.00 C ATOM 907 CZ TYR A 53 3.761 -8.963 -40.862 1.00 0.00 C ATOM 908 OH TYR A 53 4.552 -9.725 -41.691 1.00 0.00 O ATOM 0 H TYR A 53 -0.043 -7.499 -36.343 1.00 0.00 H new ATOM 0 HA TYR A 53 2.782 -6.963 -36.775 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.271 -6.969 -38.307 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.259 -5.564 -38.656 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.519 -5.837 -39.647 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.010 -9.208 -38.944 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.930 -7.194 -41.129 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.422 -10.569 -40.419 1.00 0.00 H new ATOM 0 HH TYR A 53 4.198 -10.638 -41.733 1.00 0.00 H new ATOM 918 N VAL A 54 2.987 -4.649 -35.962 1.00 0.00 N ATOM 919 CA VAL A 54 3.149 -3.291 -35.456 1.00 0.00 C ATOM 920 C VAL A 54 3.899 -2.418 -36.456 1.00 0.00 C ATOM 921 O VAL A 54 4.791 -2.890 -37.162 1.00 0.00 O ATOM 922 CB VAL A 54 3.904 -3.279 -34.114 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.141 -4.071 -33.064 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.312 -3.829 -34.290 1.00 0.00 C ATOM 0 H VAL A 54 3.854 -5.183 -36.022 1.00 0.00 H new ATOM 0 HA VAL A 54 2.148 -2.888 -35.305 1.00 0.00 H new ATOM 0 HB VAL A 54 3.982 -2.248 -33.770 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.690 -4.051 -32.123 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.156 -3.628 -32.919 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.029 -5.103 -33.397 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.831 -3.813 -33.332 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.259 -4.854 -34.657 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.856 -3.214 -35.007 1.00 0.00 H new ATOM 934 N HIS A 55 3.531 -1.142 -36.512 1.00 0.00 N ATOM 935 CA HIS A 55 4.170 -0.202 -37.426 1.00 0.00 C ATOM 936 C HIS A 55 4.744 0.990 -36.666 1.00 0.00 C ATOM 937 O HIS A 55 4.200 1.407 -35.643 1.00 0.00 O ATOM 938 CB HIS A 55 3.169 0.282 -38.476 1.00 0.00 C ATOM 939 CG HIS A 55 3.669 1.433 -39.294 1.00 0.00 C ATOM 940 ND1 HIS A 55 4.799 1.362 -40.081 1.00 0.00 N ATOM 941 CD2 HIS A 55 3.184 2.687 -39.447 1.00 0.00 C ATOM 942 CE1 HIS A 55 4.989 2.523 -40.681 1.00 0.00 C ATOM 943 NE2 HIS A 55 4.022 3.345 -40.314 1.00 0.00 N ATOM 0 H HIS A 55 2.794 -0.735 -35.936 1.00 0.00 H new ATOM 0 HA HIS A 55 4.988 -0.720 -37.926 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.923 -0.546 -39.141 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.245 0.575 -37.977 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.302 3.095 -38.975 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.797 2.760 -41.357 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.915 4.311 -40.624 1.00 0.00 H new ATOM 951 N TYR A 56 5.846 1.533 -37.172 1.00 0.00 N ATOM 952 CA TYR A 56 6.496 2.674 -36.538 1.00 0.00 C ATOM 953 C TYR A 56 6.121 3.974 -37.244 1.00 0.00 C ATOM 954 O TYR A 56 6.085 4.040 -38.472 1.00 0.00 O ATOM 955 CB TYR A 56 8.014 2.494 -36.549 1.00 0.00 C ATOM 956 CG TYR A 56 8.518 1.538 -35.492 1.00 0.00 C ATOM 957 CD1 TYR A 56 8.346 0.166 -35.628 1.00 0.00 C ATOM 958 CD2 TYR A 56 9.168 2.007 -34.356 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.804 -0.710 -34.664 1.00 0.00 C ATOM 960 CE2 TYR A 56 9.631 1.138 -33.388 1.00 0.00 C ATOM 961 CZ TYR A 56 9.446 -0.220 -33.546 1.00 0.00 C ATOM 962 OH TYR A 56 9.905 -1.090 -32.584 1.00 0.00 O ATOM 0 H TYR A 56 6.308 1.202 -38.019 1.00 0.00 H new ATOM 0 HA TYR A 56 6.152 2.729 -35.505 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.321 2.132 -37.530 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.488 3.465 -36.404 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.845 -0.222 -36.503 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.313 3.070 -34.228 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.660 -1.774 -34.785 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.135 1.519 -32.512 1.00 0.00 H new ATOM 0 HH TYR A 56 10.334 -0.584 -31.863 1.00 0.00 H new ATOM 972 N VAL A 57 5.844 5.009 -36.456 1.00 0.00 N ATOM 973 CA VAL A 57 5.474 6.309 -37.003 1.00 0.00 C ATOM 974 C VAL A 57 6.600 6.887 -37.853 1.00 0.00 C ATOM 975 O VAL A 57 6.382 7.795 -38.654 1.00 0.00 O ATOM 976 CB VAL A 57 5.123 7.309 -35.885 1.00 0.00 C ATOM 977 CG1 VAL A 57 3.780 6.962 -35.261 1.00 0.00 C ATOM 978 CG2 VAL A 57 6.219 7.335 -34.831 1.00 0.00 C ATOM 0 H VAL A 57 5.869 4.972 -35.437 1.00 0.00 H new ATOM 0 HA VAL A 57 4.595 6.152 -37.628 1.00 0.00 H new ATOM 0 HB VAL A 57 5.047 8.305 -36.322 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.549 7.679 -34.473 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.003 6.999 -36.025 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.824 5.959 -34.837 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.955 8.047 -34.049 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.329 6.342 -34.396 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.160 7.635 -35.292 1.00 0.00 H new ATOM 988 N ASN A 58 7.804 6.355 -37.672 1.00 0.00 N ATOM 989 CA ASN A 58 8.965 6.819 -38.423 1.00 0.00 C ATOM 990 C ASN A 58 8.675 6.830 -39.921 1.00 0.00 C ATOM 991 O ASN A 58 7.838 6.070 -40.408 1.00 0.00 O ATOM 992 CB ASN A 58 10.175 5.929 -38.133 1.00 0.00 C ATOM 993 CG ASN A 58 10.164 4.653 -38.953 1.00 0.00 C ATOM 994 OD1 ASN A 58 11.182 4.260 -39.523 1.00 0.00 O ATOM 995 ND2 ASN A 58 9.010 4.000 -39.016 1.00 0.00 N ATOM 0 H ASN A 58 8.001 5.603 -37.012 1.00 0.00 H new ATOM 0 HA ASN A 58 9.188 7.838 -38.107 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.089 6.484 -38.342 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.191 5.676 -37.073 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.942 3.135 -39.553 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.191 4.363 -38.527 1.00 0.00 H new ATOM 1002 N TYR A 59 9.374 7.696 -40.646 1.00 0.00 N ATOM 1003 CA TYR A 59 9.191 7.808 -42.089 1.00 0.00 C ATOM 1004 C TYR A 59 9.309 6.443 -42.760 1.00 0.00 C ATOM 1005 O TYR A 59 8.455 6.056 -43.557 1.00 0.00 O ATOM 1006 CB TYR A 59 10.221 8.771 -42.681 1.00 0.00 C ATOM 1007 CG TYR A 59 9.873 10.228 -42.481 1.00 0.00 C ATOM 1008 CD1 TYR A 59 10.172 10.877 -41.290 1.00 0.00 C ATOM 1009 CD2 TYR A 59 9.246 10.957 -43.485 1.00 0.00 C ATOM 1010 CE1 TYR A 59 9.855 12.209 -41.102 1.00 0.00 C ATOM 1011 CE2 TYR A 59 8.927 12.289 -43.306 1.00 0.00 C ATOM 1012 CZ TYR A 59 9.233 12.910 -42.114 1.00 0.00 C ATOM 1013 OH TYR A 59 8.917 14.237 -41.931 1.00 0.00 O ATOM 0 H TYR A 59 10.072 8.331 -40.259 1.00 0.00 H new ATOM 0 HA TYR A 59 8.190 8.198 -42.274 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.193 8.573 -42.229 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.320 8.573 -43.748 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.661 10.331 -40.497 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.004 10.474 -44.420 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.093 12.698 -40.169 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.440 12.841 -44.096 1.00 0.00 H new ATOM 0 HH TYR A 59 8.484 14.585 -42.739 1.00 0.00 H new ATOM 1023 N ASN A 60 10.373 5.718 -42.430 1.00 0.00 N ATOM 1024 CA ASN A 60 10.604 4.396 -43.001 1.00 0.00 C ATOM 1025 C ASN A 60 9.371 3.511 -42.839 1.00 0.00 C ATOM 1026 O ASN A 60 8.969 3.185 -41.722 1.00 0.00 O ATOM 1027 CB ASN A 60 11.811 3.734 -42.334 1.00 0.00 C ATOM 1028 CG ASN A 60 12.906 3.394 -43.327 1.00 0.00 C ATOM 1029 OD1 ASN A 60 14.084 3.653 -43.081 1.00 0.00 O ATOM 1030 ND2 ASN A 60 12.520 2.812 -44.456 1.00 0.00 N ATOM 0 H ASN A 60 11.089 6.024 -41.770 1.00 0.00 H new ATOM 0 HA ASN A 60 10.806 4.517 -44.065 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.211 4.400 -41.570 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.489 2.825 -41.827 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.211 2.561 -45.162 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.532 2.616 -44.617 1.00 0.00 H new ATOM 1037 N LYS A 61 8.776 3.126 -43.963 1.00 0.00 N ATOM 1038 CA LYS A 61 7.590 2.277 -43.948 1.00 0.00 C ATOM 1039 C LYS A 61 7.974 0.807 -43.814 1.00 0.00 C ATOM 1040 O LYS A 61 7.235 0.013 -43.232 1.00 0.00 O ATOM 1041 CB LYS A 61 6.772 2.487 -45.225 1.00 0.00 C ATOM 1042 CG LYS A 61 5.337 2.003 -45.114 1.00 0.00 C ATOM 1043 CD LYS A 61 4.785 1.580 -46.465 1.00 0.00 C ATOM 1044 CE LYS A 61 4.539 2.779 -47.367 1.00 0.00 C ATOM 1045 NZ LYS A 61 5.773 3.192 -48.090 1.00 0.00 N ATOM 0 H LYS A 61 9.095 3.388 -44.896 1.00 0.00 H new ATOM 0 HA LYS A 61 6.985 2.556 -43.085 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.771 3.548 -45.475 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.260 1.966 -46.049 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.288 1.163 -44.421 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.716 2.796 -44.698 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.485 0.898 -46.948 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.853 1.033 -46.323 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.759 2.536 -48.089 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.172 3.613 -46.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.534 3.439 -49.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.192 4.018 -47.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.456 2.408 -48.087 1.00 0.00 H new ATOM 1059 N ARG A 62 9.135 0.452 -44.355 1.00 0.00 N ATOM 1060 CA ARG A 62 9.617 -0.923 -44.295 1.00 0.00 C ATOM 1061 C ARG A 62 9.765 -1.384 -42.848 1.00 0.00 C ATOM 1062 O ARG A 62 9.749 -2.582 -42.562 1.00 0.00 O ATOM 1063 CB ARG A 62 10.958 -1.048 -45.021 1.00 0.00 C ATOM 1064 CG ARG A 62 12.072 -0.230 -44.387 1.00 0.00 C ATOM 1065 CD ARG A 62 13.052 -1.114 -43.633 1.00 0.00 C ATOM 1066 NE ARG A 62 14.199 -1.487 -44.457 1.00 0.00 N ATOM 1067 CZ ARG A 62 15.152 -0.635 -44.818 1.00 0.00 C ATOM 1068 NH1 ARG A 62 15.096 0.632 -44.430 1.00 0.00 N ATOM 1069 NH2 ARG A 62 16.165 -1.049 -45.569 1.00 0.00 N ATOM 0 H ARG A 62 9.759 1.097 -44.840 1.00 0.00 H new ATOM 0 HA ARG A 62 8.884 -1.561 -44.789 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.255 -2.097 -45.041 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.832 -0.733 -46.057 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.602 0.326 -45.160 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.643 0.504 -43.705 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.400 -0.591 -42.742 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.541 -2.015 -43.294 1.00 0.00 H new ATOM 0 HE ARG A 62 14.272 -2.454 -44.772 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.320 0.955 -43.853 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.829 1.284 -44.709 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.212 -2.023 -45.870 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.896 -0.394 -45.845 1.00 0.00 H new ATOM 1083 N LEU A 63 9.909 -0.427 -41.939 1.00 0.00 N ATOM 1084 CA LEU A 63 10.061 -0.734 -40.521 1.00 0.00 C ATOM 1085 C LEU A 63 8.894 -1.579 -40.019 1.00 0.00 C ATOM 1086 O LEU A 63 9.025 -2.318 -39.043 1.00 0.00 O ATOM 1087 CB LEU A 63 10.157 0.557 -39.706 1.00 0.00 C ATOM 1088 CG LEU A 63 11.552 0.929 -39.201 1.00 0.00 C ATOM 1089 CD1 LEU A 63 12.010 -0.048 -38.130 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.544 0.965 -40.354 1.00 0.00 C ATOM 0 H LEU A 63 9.924 0.569 -42.158 1.00 0.00 H new ATOM 0 HA LEU A 63 10.981 -1.305 -40.395 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.783 1.378 -40.318 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.492 0.471 -38.847 1.00 0.00 H new ATOM 0 HG LEU A 63 11.504 1.924 -38.758 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.004 0.233 -37.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.313 -0.023 -37.293 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.042 -1.055 -38.546 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.531 1.231 -39.976 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.589 -0.016 -40.826 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.224 1.706 -41.087 1.00 0.00 H new ATOM 1102 N ASP A 64 7.756 -1.467 -40.695 1.00 0.00 N ATOM 1103 CA ASP A 64 6.567 -2.224 -40.320 1.00 0.00 C ATOM 1104 C ASP A 64 6.887 -3.709 -40.188 1.00 0.00 C ATOM 1105 O ASP A 64 7.120 -4.394 -41.183 1.00 0.00 O ATOM 1106 CB ASP A 64 5.459 -2.018 -41.354 1.00 0.00 C ATOM 1107 CG ASP A 64 4.278 -2.942 -41.129 1.00 0.00 C ATOM 1108 OD1 ASP A 64 3.984 -3.252 -39.956 1.00 0.00 O ATOM 1109 OD2 ASP A 64 3.648 -3.355 -42.125 1.00 0.00 O ATOM 0 H ASP A 64 7.632 -0.860 -41.505 1.00 0.00 H new ATOM 0 HA ASP A 64 6.223 -1.858 -39.352 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.119 -0.983 -41.317 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.862 -2.185 -42.353 1.00 0.00 H new ATOM 1114 N GLU A 65 6.898 -4.199 -38.952 1.00 0.00 N ATOM 1115 CA GLU A 65 7.192 -5.603 -38.690 1.00 0.00 C ATOM 1116 C GLU A 65 6.106 -6.234 -37.823 1.00 0.00 C ATOM 1117 O GLU A 65 5.094 -5.602 -37.519 1.00 0.00 O ATOM 1118 CB GLU A 65 8.553 -5.743 -38.005 1.00 0.00 C ATOM 1119 CG GLU A 65 8.595 -5.145 -36.608 1.00 0.00 C ATOM 1120 CD GLU A 65 10.010 -4.972 -36.091 1.00 0.00 C ATOM 1121 OE1 GLU A 65 10.807 -5.926 -36.210 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.320 -3.882 -35.566 1.00 0.00 O ATOM 0 H GLU A 65 6.707 -3.645 -38.117 1.00 0.00 H new ATOM 0 HA GLU A 65 7.219 -6.126 -39.646 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.814 -6.800 -37.947 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.312 -5.260 -38.621 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.094 -4.177 -36.616 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.038 -5.787 -35.925 1.00 0.00 H new ATOM 1129 N TRP A 66 6.324 -7.483 -37.428 1.00 0.00 N ATOM 1130 CA TRP A 66 5.364 -8.200 -36.596 1.00 0.00 C ATOM 1131 C TRP A 66 6.047 -8.803 -35.373 1.00 0.00 C ATOM 1132 O TRP A 66 7.213 -9.194 -35.433 1.00 0.00 O ATOM 1133 CB TRP A 66 4.678 -9.301 -37.407 1.00 0.00 C ATOM 1134 CG TRP A 66 5.623 -10.361 -37.888 1.00 0.00 C ATOM 1135 CD1 TRP A 66 6.660 -10.199 -38.761 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.614 -11.745 -37.524 1.00 0.00 C ATOM 1137 NE1 TRP A 66 7.297 -11.399 -38.962 1.00 0.00 N ATOM 1138 CE2 TRP A 66 6.675 -12.364 -38.214 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.815 -12.523 -36.681 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 6.955 -13.722 -38.086 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 5.093 -13.870 -36.556 1.00 0.00 C ATOM 1142 CH2 TRP A 66 6.156 -14.459 -37.255 1.00 0.00 C ATOM 0 H TRP A 66 7.157 -8.020 -37.670 1.00 0.00 H new ATOM 0 HA TRP A 66 4.613 -7.488 -36.255 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.904 -9.765 -36.795 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.179 -8.852 -38.266 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.939 -9.265 -39.225 1.00 0.00 H new ATOM 0 HE1 TRP A 66 8.103 -11.548 -39.570 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.995 -12.078 -36.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 7.774 -14.177 -38.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.481 -14.480 -35.908 1.00 0.00 H new ATOM 0 HH2 TRP A 66 6.348 -15.515 -37.135 1.00 0.00 H new ATOM 1153 N ILE A 67 5.315 -8.874 -34.267 1.00 0.00 N ATOM 1154 CA ILE A 67 5.851 -9.430 -33.031 1.00 0.00 C ATOM 1155 C ILE A 67 4.778 -10.191 -32.260 1.00 0.00 C ATOM 1156 O ILE A 67 3.628 -10.276 -32.693 1.00 0.00 O ATOM 1157 CB ILE A 67 6.436 -8.330 -32.125 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.370 -7.277 -31.813 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.645 -7.687 -32.787 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.844 -6.203 -30.858 1.00 0.00 C ATOM 0 H ILE A 67 4.349 -8.553 -34.201 1.00 0.00 H new ATOM 0 HA ILE A 67 6.648 -10.117 -33.314 1.00 0.00 H new ATOM 0 HB ILE A 67 6.758 -8.784 -31.188 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.050 -6.809 -32.744 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.496 -7.771 -31.387 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.047 -6.912 -32.135 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.409 -8.444 -32.964 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.347 -7.243 -33.737 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.038 -5.491 -30.682 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.137 -6.660 -29.913 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.699 -5.683 -31.290 1.00 0.00 H new ATOM 1172 N THR A 68 5.161 -10.742 -31.112 1.00 0.00 N ATOM 1173 CA THR A 68 4.232 -11.496 -30.279 1.00 0.00 C ATOM 1174 C THR A 68 3.736 -10.655 -29.109 1.00 0.00 C ATOM 1175 O THR A 68 3.999 -9.454 -29.038 1.00 0.00 O ATOM 1176 CB THR A 68 4.883 -12.781 -29.733 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.893 -12.449 -28.774 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.496 -13.598 -30.860 1.00 0.00 C ATOM 0 H THR A 68 6.108 -10.680 -30.738 1.00 0.00 H new ATOM 0 HA THR A 68 3.387 -11.766 -30.913 1.00 0.00 H new ATOM 0 HB THR A 68 4.108 -13.378 -29.252 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.301 -13.271 -28.430 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.950 -14.500 -30.450 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.719 -13.874 -31.573 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.259 -13.006 -31.365 1.00 0.00 H new ATOM 1186 N THR A 69 3.016 -11.292 -28.191 1.00 0.00 N ATOM 1187 CA THR A 69 2.482 -10.602 -27.023 1.00 0.00 C ATOM 1188 C THR A 69 3.555 -10.416 -25.956 1.00 0.00 C ATOM 1189 O THR A 69 3.459 -9.522 -25.116 1.00 0.00 O ATOM 1190 CB THR A 69 1.294 -11.368 -26.413 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.634 -10.553 -25.438 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.760 -12.663 -25.766 1.00 0.00 C ATOM 0 H THR A 69 2.789 -12.286 -28.234 1.00 0.00 H new ATOM 0 HA THR A 69 2.138 -9.625 -27.363 1.00 0.00 H new ATOM 0 HB THR A 69 0.597 -11.611 -27.215 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.121 -11.047 -25.056 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.903 -13.187 -25.342 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.236 -13.294 -26.517 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.475 -12.438 -24.975 1.00 0.00 H new ATOM 1200 N ASP A 70 4.576 -11.265 -25.996 1.00 0.00 N ATOM 1201 CA ASP A 70 5.668 -11.193 -25.033 1.00 0.00 C ATOM 1202 C ASP A 70 6.392 -9.854 -25.131 1.00 0.00 C ATOM 1203 O ASP A 70 7.019 -9.405 -24.172 1.00 0.00 O ATOM 1204 CB ASP A 70 6.656 -12.339 -25.263 1.00 0.00 C ATOM 1205 CG ASP A 70 6.223 -13.622 -24.582 1.00 0.00 C ATOM 1206 OD1 ASP A 70 6.066 -13.612 -23.344 1.00 0.00 O ATOM 1207 OD2 ASP A 70 6.042 -14.637 -25.288 1.00 0.00 O ATOM 0 H ASP A 70 4.670 -12.011 -26.685 1.00 0.00 H new ATOM 0 HA ASP A 70 5.244 -11.284 -24.033 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.759 -12.516 -26.333 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.639 -12.048 -24.892 1.00 0.00 H new ATOM 1212 N ARG A 71 6.300 -9.221 -26.296 1.00 0.00 N ATOM 1213 CA ARG A 71 6.948 -7.935 -26.520 1.00 0.00 C ATOM 1214 C ARG A 71 5.922 -6.805 -26.535 1.00 0.00 C ATOM 1215 O ARG A 71 6.277 -5.630 -26.431 1.00 0.00 O ATOM 1216 CB ARG A 71 7.722 -7.952 -27.839 1.00 0.00 C ATOM 1217 CG ARG A 71 8.791 -9.030 -27.904 1.00 0.00 C ATOM 1218 CD ARG A 71 10.089 -8.566 -27.262 1.00 0.00 C ATOM 1219 NE ARG A 71 10.072 -8.730 -25.811 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.132 -8.530 -25.036 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.288 -8.160 -25.570 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.037 -8.700 -23.723 1.00 0.00 N ATOM 0 H ARG A 71 5.783 -9.578 -27.099 1.00 0.00 H new ATOM 0 HA ARG A 71 7.645 -7.760 -25.700 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.020 -8.098 -28.660 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.190 -6.979 -27.989 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.435 -9.928 -27.399 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.974 -9.300 -28.944 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.922 -9.130 -27.681 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.259 -7.517 -27.506 1.00 0.00 H new ATOM 0 HE ARG A 71 9.198 -9.014 -25.368 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.365 -8.028 -26.579 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.100 -8.007 -24.972 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.150 -8.984 -23.308 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.852 -8.546 -23.129 1.00 0.00 H new ATOM 1236 N ILE A 72 4.651 -7.169 -26.664 1.00 0.00 N ATOM 1237 CA ILE A 72 3.575 -6.186 -26.692 1.00 0.00 C ATOM 1238 C ILE A 72 2.889 -6.083 -25.334 1.00 0.00 C ATOM 1239 O ILE A 72 2.663 -7.090 -24.663 1.00 0.00 O ATOM 1240 CB ILE A 72 2.522 -6.534 -27.761 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.164 -6.566 -29.149 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.378 -5.532 -27.723 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.267 -7.154 -30.216 1.00 0.00 C ATOM 0 H ILE A 72 4.341 -8.137 -26.751 1.00 0.00 H new ATOM 0 HA ILE A 72 4.030 -5.227 -26.940 1.00 0.00 H new ATOM 0 HB ILE A 72 2.119 -7.524 -27.545 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.440 -5.551 -29.436 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.086 -7.146 -29.101 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.642 -5.791 -28.484 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.907 -5.554 -26.740 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.764 -4.531 -27.917 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.787 -7.145 -31.174 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.011 -8.180 -29.952 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.355 -6.561 -30.292 1.00 0.00 H new ATOM 1255 N ASN A 73 2.559 -4.859 -24.934 1.00 0.00 N ATOM 1256 CA ASN A 73 1.898 -4.624 -23.656 1.00 0.00 C ATOM 1257 C ASN A 73 0.654 -3.759 -23.838 1.00 0.00 C ATOM 1258 O ASN A 73 0.657 -2.804 -24.615 1.00 0.00 O ATOM 1259 CB ASN A 73 2.861 -3.953 -22.675 1.00 0.00 C ATOM 1260 CG ASN A 73 2.322 -3.932 -21.258 1.00 0.00 C ATOM 1261 OD1 ASN A 73 1.429 -3.150 -20.933 1.00 0.00 O ATOM 1262 ND2 ASN A 73 2.865 -4.795 -20.406 1.00 0.00 N ATOM 0 H ASN A 73 2.739 -4.015 -25.477 1.00 0.00 H new ATOM 0 HA ASN A 73 1.592 -5.589 -23.251 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.815 -4.479 -22.690 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.055 -2.931 -23.002 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.543 -4.827 -19.439 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.603 -5.425 -20.719 1.00 0.00 H new ATOM 1269 N LEU A 74 -0.407 -4.100 -23.115 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.659 -3.354 -23.195 1.00 0.00 C ATOM 1271 C LEU A 74 -1.440 -1.884 -22.852 1.00 0.00 C ATOM 1272 O LEU A 74 -0.324 -1.470 -22.537 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.698 -3.961 -22.251 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.477 -5.161 -22.792 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -4.234 -4.780 -24.055 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.538 -6.328 -23.062 1.00 0.00 C ATOM 0 H LEU A 74 -0.426 -4.888 -22.467 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.027 -3.418 -24.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.193 -4.265 -21.334 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.411 -3.183 -21.979 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.201 -5.470 -22.038 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.782 -5.646 -24.426 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.935 -3.976 -23.831 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.528 -4.445 -24.815 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.109 -7.173 -23.446 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.790 -6.031 -23.797 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.041 -6.617 -22.136 1.00 0.00 H new